3-ethylsulfanyl-2-fluoroprop-1-ene

C5H9FS — CID 59154923

IUPAC3-ethylsulfanyl-2-fluoroprop-1-ene
SMILESC=C(F)CSCC
InChIInChI=1S/C5H9FS/c1-3-7-4-5(2)6/h2-4H2,1H3
InChIKeyDZKYLGPXOLMJLD-UHFFFAOYSA-N
MW120.19 g/mol
LogP2.22
Rot. Bonds3

About 3-ethylsulfanyl-2-fluoroprop-1-ene

3-ethylsulfanyl-2-fluoroprop-1-ene (PubChem CID 59154923) has the molecular formula C5H9FS and a molecular weight of 120.19 g/mol. Its IUPAC name is 3-ethylsulfanyl-2-fluoroprop-1-ene.

Molecular Properties

Compound Name3-ethylsulfanyl-2-fluoroprop-1-ene
PubChem CID59154923
Molecular FormulaC5H9FS
Molecular Weight120.19 g/mol
Exact Mass120.04
IUPAC Name3-ethylsulfanyl-2-fluoroprop-1-ene
SMILESC=C(F)CSCC
InChIInChI=1S/C5H9FS/c1-3-7-4-5(2)6/h2-4H2,1H3
InChIKeyDZKYLGPXOLMJLD-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.19
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-2-fluoroprop-1-ene?
The IUPAC name of 3-ethylsulfanyl-2-fluoroprop-1-ene (CID 59154923) is 3-ethylsulfanyl-2-fluoroprop-1-ene.
What is the SMILES notation for 3-ethylsulfanyl-2-fluoroprop-1-ene?
The canonical SMILES for 3-ethylsulfanyl-2-fluoroprop-1-ene is C=C(F)CSCC.
What is the InChIKey of 3-ethylsulfanyl-2-fluoroprop-1-ene?
The InChIKey is DZKYLGPXOLMJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FS/c1-3-7-4-5(2)6/h2-4H2,1H3.
What are the key properties of 3-ethylsulfanyl-2-fluoroprop-1-ene?
3-ethylsulfanyl-2-fluoroprop-1-ene has a molecular weight of 120.19 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-2-fluoroprop-1-ene is sourced from PubChem (CID 59154923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).